1-(3-chloro-5-methylphenyl)nonan-1-amine

C16H26ClN — CID 115835851

IUPAC1-(3-chloro-5-methylphenyl)nonan-1-amine
SMILESCCCCCCCCC(N)c1cc(C)cc(Cl)c1
InChIInChI=1S/C16H26ClN/c1-3-4-5-6-7-8-9-16(18)14-10-13(2)11-15(17)12-14/h10-12,16H,3-9,18H2,1-2H3
InChIKeyNSQJAZAZPYICBT-UHFFFAOYSA-N
MW267.84 g/mol
LogP5.40
Rot. Bonds8

About 1-(3-chloro-5-methylphenyl)nonan-1-amine

1-(3-chloro-5-methylphenyl)nonan-1-amine (PubChem CID 115835851) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is 1-(3-chloro-5-methylphenyl)nonan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-5-methylphenyl)nonan-1-amine
PubChem CID115835851
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC Name1-(3-chloro-5-methylphenyl)nonan-1-amine
SMILESCCCCCCCCC(N)c1cc(C)cc(Cl)c1
InChIInChI=1S/C16H26ClN/c1-3-4-5-6-7-8-9-16(18)14-10-13(2)11-15(17)12-14/h10-12,16H,3-9,18H2,1-2H3
InChIKeyNSQJAZAZPYICBT-UHFFFAOYSA-N
XLogP5.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.84
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-5-methylphenyl)decan-1-amine
CID 115831880
(1S)-1-(3,5-dichlorophenyl)hexan-1-amine
CID 171222079
(1R)-1-(3,5-dimethylphenyl)hexan-1-amine
CID 171202167
1-(3-chloro-5-methylphenyl)decan-1-ol
CID 115782985
1-(3-chloro-5-methylphenyl)-3-methylhexan-1-amine
CID 115845741
1-(3-chlorophenyl)decan-1-amine
CID 63412045
1-(3-chlorophenyl)undecan-1-amine
CID 63411961
1-(5-methyl-3-pyridinyl)dodecan-1-amine
CID 105022916
(1S)-1-(3-chlorophenyl)hexan-1-amine;hydrochloride
CID 171219101
1-(4-bromo-3,5-dimethylphenyl)heptan-1-amine
CID 114330157
1-(5-methyl-3-pyridinyl)hexan-1-amine
CID 105023199
1-(2,4,6-trimethylphenyl)heptan-1-amine
CID 114752275

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylphenyl)nonan-1-amine?
The IUPAC name of 1-(3-chloro-5-methylphenyl)nonan-1-amine (CID 115835851) is 1-(3-chloro-5-methylphenyl)nonan-1-amine.
What is the SMILES notation for 1-(3-chloro-5-methylphenyl)nonan-1-amine?
The canonical SMILES for 1-(3-chloro-5-methylphenyl)nonan-1-amine is CCCCCCCCC(N)c1cc(C)cc(Cl)c1.
What is the InChIKey of 1-(3-chloro-5-methylphenyl)nonan-1-amine?
The InChIKey is NSQJAZAZPYICBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN/c1-3-4-5-6-7-8-9-16(18)14-10-13(2)11-15(17)12-14/h10-12,16H,3-9,18H2,1-2H3.
What are the key properties of 1-(3-chloro-5-methylphenyl)nonan-1-amine?
1-(3-chloro-5-methylphenyl)nonan-1-amine has a molecular weight of 267.84 g/mol, XLogP of 5.40, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methylphenyl)nonan-1-amine is sourced from PubChem (CID 115835851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).